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Metabolite_​DeNovoID

Uses adduct grouping and de-novo identification with SIRIUS/CSI:FingerID.

Example input data:
To download the data from the archive linked below, check the box on the folder and click on the download button (arrow) on the top left.
Download and unpack the "Example_Data" data into a directory "Example_data" right inside your KNIME workspace.

Metabolomics Identification and QuantificationUses adduct grouping and de-novo identification with SIRIUS/CSI:FingerID. Feature detectionSiriusAdapterAdduct groupingSirius.mzTabFeature based precursor mass correctionCentroided spectra (mzML)SIRIUS.mzTabCSI:FingerID.mzTabSIRIUS.msFeatureFinderMetabo SiriusAdapter MetaboliteAdductDecharger MzTabReader HighResPrecursorMassCorrector File Importer File Exporter File Exporter File Exporter Metabolomics Identification and QuantificationUses adduct grouping and de-novo identification with SIRIUS/CSI:FingerID. Feature detectionSiriusAdapterAdduct groupingSirius.mzTabFeature based precursor mass correctionCentroided spectra (mzML)SIRIUS.mzTabCSI:FingerID.mzTabSIRIUS.msFeatureFinderMetabo SiriusAdapter MetaboliteAdductDecharger MzTabReader HighResPrecursorMassCorrector File Importer File Exporter File Exporter File Exporter

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